CID 66570692

143446-73-5

Structural Information

Molecular Formula
C10H16O4S
SMILES
CCCC(=O)CC1OCC(S1)OC(=O)C
InChI
InChI=1S/C10H16O4S/c1-3-4-8(12)5-9-13-6-10(15-9)14-7(2)11/h9-10H,3-6H2,1-2H3
InChIKey
NVOKHIMPUKEFNE-UHFFFAOYSA-N
Compound name
[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07693 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08421 152.9
[M+Na]+ 255.06615 158.8
[M-H]- 231.06965 156.8
[M+NH4]+ 250.11075 171.8
[M+K]+ 271.04009 159.0
[M+H-H2O]+ 215.07419 147.8
[M+HCOO]- 277.07513 168.1
[M+CH3COO]- 291.09078 187.5
[M+Na-2H]- 253.05160 151.4
[M]+ 232.07638 157.3
[M]- 232.07748 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.